| | |
| | |
Stat |
Members: 3643 Articles: 2'487'895 Articles rated: 2609
28 March 2024 |
|
| | | |
|
Article overview
| |
|
How to mesh up Ewald sums (I): A theoretical and numerical comparison of various particle mesh routines | Markus Deserno
; Christian Holm
; | Date: |
7 Jul 1998 | Journal: | J. Chem. Phys. 109, (1998) 7678 | Subject: | Soft Condensed Matter | cond-mat.soft | Abstract: | Standard Ewald sums, which calculate e.g. the electrostatic energy or the force in periodically closed systems of charged particles, can be efficiently speeded up by the use of the Fast Fourier Transformation (FFT). In this article we investigate three algorithms for the FFT-accelerated Ewald sum, which attracted a widespread attention, namely, the so-called particle-particle-particle-mesh (P3M), particle mesh Ewald (PME) and smooth PME method. We present a unified view of the underlying techniques and the various ingredients which comprise those routines. Additionally, we offer detailed accuracy measurements, which shed some light on the influence of several tuning parameters and also show that the existing methods -- although similar in spirit -- exhibit remarkable differences in accuracy. We propose combinations of the individual components, mostly relying on the P3M approach, which we regard as most flexible. | Source: | arXiv, cond-mat/9807099 | Other source: | [GID 171585] cond-mat/9807099 | Services: | Forum | Review | PDF | Favorites |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
browser claudebot
|
| |
|
|
|
| News, job offers and information for researchers and scientists:
| |